N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide

C19H25F2N5O2 — CID 45107304

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C19H25F2N5O2/c1-13(7-10-25-8-3-2-4-9-25)18(28)22-16-11-15(23-24-16)14-5-6-17(27)26(12-14)19(20)21/h5-6,11-13,19H,2-4,7-10H2,1H3,(H2,22,23,24,28)
InChIKeyKNJTVMUOXNPAGC-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.08
Rot. Bonds7

About N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide (PubChem CID 45107304) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
PubChem CID45107304
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C19H25F2N5O2/c1-13(7-10-25-8-3-2-4-9-25)18(28)22-16-11-15(23-24-16)14-5-6-17(27)26(12-14)19(20)21/h5-6,11-13,19H,2-4,7-10H2,1H3,(H2,22,23,24,28)
InChIKeyKNJTVMUOXNPAGC-UHFFFAOYSA-N
XLogP3.08
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
3-N-(5-ethyl-1H-pyrazol-3-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001154
N-(5-methyl-1H-pyrazol-3-yl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidine-4-carboxamide
CID 71795331
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631985
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 44621024
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621195
N-[5-(1-difluoromethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 44621228
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107277
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333035
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333086
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333093

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide (CID 45107304) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide is CC(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The InChIKey is KNJTVMUOXNPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-13(7-10-25-8-3-2-4-9-25)18(28)22-16-11-15(23-24-16)14-5-6-17(27)26(12-14)19(20)21/h5-6,11-13,19H,2-4,7-10H2,1H3,(H2,22,23,24,28).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide has a molecular weight of 393.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 45107304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).